5-(5-{[(3R,5S)-3,5-Dimethyl-1-Piperazinyl]Sulfonyl}-2-Ethoxyphenyl)-1-Methyl-7-[(1-Methyl-4-Nitro-1H-Imidazol-5-Yl)Sulfanyl]-3-Propyl-1H-Pyrazolo[4,3-D]Pyrimidine
Properties
| Property | Value |
|---|---|
| Formula | C27H35N9O5S2 |
| IUPAC Name | 5-[5-[(3r,5s)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-1-methyl-7-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-3-propyl-pyrazolo[4,3-d]pyrimidine |
| Molecular Mass | 629.754 g·mol−1 |
| Heat of Formation | -11.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.76 ± 1.08 D |
| Volume | 726.01 Å 3 |
| Surface Area | 530.2 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | -1.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BKSGUKFLKLIEQV-CALCHBBNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |